Spektraris NMR
Illioliganone B
Common Name: Illioliganone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O5/c1-4-5-15-8-10(6-12(17)14(2,3)18)11(16)7-13(15)19-9-20-15/h4,7-8,12,17-18H,1,5-6,9H2,2-3H3/t12-,15-/m1/s1
InChIKey: InChIKey=LDVFQSQSHHWAPD-IUODEOHRSA-N
Formula: C15H20O5
Molecular Weight: 280.316878
Exact Mass: 280.131074
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Tang, W.Z., Ma, S.G., Yu, S.S., Qu, J., Liu, Y.B., Liu, J. J Nat Prod (2009) 72, 1017-21
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 81.8 |
| 2 (C) | 174.5 |
| 3 (CH) | 98.3 |
| 4 (C) | 187.8 |
| 5 (C) | 139.4 |
| 6 (CH) | 136.9 |
| 7 (CH2) | 40.6 |
| 8 (CH) | 131.9 |
| 9 (CH2) | 120.5 |
| 1a (CH2) | 98.8 |
| 5a (CH2) | 32.8 |
| 5b (CH) | 77.5 |
| 5c (C) | 72.8 |
| 5d (CH3) | 25.9 |
| 5e (CH3) | 25.3 |
